Dear all,

I am trying to fit Mn3O4 exafs data (Mn K-edge).

I got the atoms.input file from The Atoms.inp archive.

The sample was a commercial Mn3O4 powder sample.

The Mn-O first shell (path denoted as O1.1) was not fitted using the default degeneracy 4.0.

The degen 1.0 - 2.0 was likely better, which is too small.

In addition, several paths for outer shells go weird. That is, sigma squared become negative.

Whatever I changed, the situation did no get better.

I fixed the S02 values to 8.0.

Attached are the athena and artemis files that I am using.

Could anyone help me to fit it right?

 

Kug-Seung Lee